REMARK  Name = BDB032602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.731   0.906   3.579  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -1.956  -0.022   2.777  0.00  0.00    +0.074 S 
ATOM      3  O   LIG    1       -1.591  -1.318   3.304  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -2.835  -0.237   1.248  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -3.595   0.819   0.738  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -4.311   0.643  -0.449  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -4.275  -0.586  -1.130  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -3.526  -1.644  -0.588  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.810  -1.474   0.599  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.066  -0.779  -2.402  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1       -5.162   0.360  -3.144  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -6.346  -1.176  -2.160  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -4.531  -1.717  -3.231  0.00  0.00    -0.166 F 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1       -0.588   0.820   2.331  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1       -0.520   1.747   2.737  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.423   0.322   1.529  0.00  0.00    +0.181 A 
ATOM     17  N   LIG    1        0.396  -0.858   0.911  0.00  0.00    -0.061 NA
ATOM     18  O   LIG    1        1.584  -0.949   0.213  0.00  0.00    -0.353 OA
ATOM     19  C   LIG    1        2.324   0.182   0.409  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        1.615   1.019   1.240  0.00  0.00    +0.097 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.616   0.246  -0.267  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.439   1.374  -0.124  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.678   1.445  -0.768  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.113   0.389  -1.564  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.311  -0.738  -1.716  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.072  -0.809  -1.073  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5